General Information of the Compound
| Compound ID |
CP0449415
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(4-methylphenyl)indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H30F3N3O4
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| Molecular Weight |
601.625
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| Canonical SMILES |
COc1ccc(cc1-c1nn(C(C)c2ccc(cc2)C(=O)NCCC(O)=O)c2cc(ccc12)-c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H30F3N3O4/c1-20-4-6-23(7-5-20)25-12-14-27-29(18-25)40(39-32(27)28-19-26(34(35,36)37)13-15-30(28)44-3)21(2)22-8-10-24(11-9-22)33(43)38-17-16-31(41)42/h4-15,18-19,21H,16-17H2,1-3H3,(H,38,43)(H,41,42)
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| InChIKey |
XIZYTDLDJKWLOW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound